N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide

C23H27Cl2N5O5S — CID 4616091

IUPACN-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)N2CCN(C(C)=O)CC2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N5O5S/c1-15(31)28-5-7-29(8-6-28)21(33)12-17-14-36-23(26-17)27-20(32)13-30(9-10-35-2)22(34)18-4-3-16(24)11-19(18)25/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,26,27,32)
InChIKeyDUHSXOAJWHMSFI-UHFFFAOYSA-N
MW556.47 g/mol
LogP2.41
Rot. Bonds9

About N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide

N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide (PubChem CID 4616091) has the molecular formula C23H27Cl2N5O5S and a molecular weight of 556.47 g/mol. Its IUPAC name is N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide
PubChem CID4616091
Molecular FormulaC23H27Cl2N5O5S
Molecular Weight556.47 g/mol
Exact Mass555.11
IUPAC NameN-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)N2CCN(C(C)=O)CC2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N5O5S/c1-15(31)28-5-7-29(8-6-28)21(33)12-17-14-36-23(26-17)27-20(32)13-30(9-10-35-2)22(34)18-4-3-16(24)11-19(18)25/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,26,27,32)
InChIKeyDUHSXOAJWHMSFI-UHFFFAOYSA-N
XLogP2.41
TPSA112.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide with MolForge

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Related Compounds

2-[2-[[2-[(2,4-dichlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5193937
4-chloro-N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 5097754
N-[2-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 4689611
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
3,4-dichloro-N-[2-[[4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4147780
N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chloro-N-cyclopropylbenzamide
CID 1023826
ethyl (3S)-1-[2-[2-[[2-[(2,4-dichlorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 98402783
2-chloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 42780091
N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3473161
N-[2-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 3712836
2,4-dichloro-N-[2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029848
N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4695222

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide (CID 4616091) is N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)Nc1nc(CC(=O)N2CCN(C(C)=O)CC2)cs1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide?
The InChIKey is DUHSXOAJWHMSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O5S/c1-15(31)28-5-7-29(8-6-28)21(33)12-17-14-36-23(26-17)27-20(32)13-30(9-10-35-2)22(34)18-4-3-16(24)11-19(18)25/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,26,27,32).
What are the key properties of N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide?
N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide has a molecular weight of 556.47 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4616091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).